[
  {
    "molid": "mol35410",
    "smiles": "CCCCOP(=O)(CN1CCOCC1)OCCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCOP(=O)(CN1CCOCC1)OCCCC",
        "std_free_energy": -7.234195709228516,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCOP(=[OH+])(CN1CCOCC1)OCCCC",
        "std_free_energy": -0.05314350128173828,
        "relative_population": 0.08654619337637352
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCOP(=O)(C[NH+]1CCOCC1)OCCCC",
        "std_free_energy": -2.409698009490967,
        "relative_population": 0.9134538066236264
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.61999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]